Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | S100A4 | P26447 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 1/20 | 0.53 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2578234 | 0.85 | TLR9 (1.00) | TLR9ALDH1A1MAPTTDP1CYP3A4 | |
| SCHEMBL2578236 | 0.85 | TLR9 (1.00) | TLR9ALDH1A1MAPTTDP1CYP3A4 | |
| SCHEMBL11845111 | 0.81 | TLR9 (0.45) | TLR9ALDH1A1TDP1CYP3A4CYP2C9 | |
| SCHEMBL11845104 | 0.81 | TLR9 (0.45) | TLR9ALDH1A1TDP1CYP3A4CYP2C9 | |
| SCHEMBL571864 | 0.80 | TLR9 (0.59) | TLR9ALDH1A1TDP1CYP2C9CYP2C19 | |
| SCHEMBL571865 | 0.80 | TLR9 (0.59) | TLR9ALDH1A1TDP1CYP2C9CYP2C19 | |
| SCHEMBL2828908 | 0.80 | TLR9 (0.59) | TLR9ALDH1A1TDP1CYP2C9CYP2C19 | |
| SCHEMBL10826101 | 0.77 | TLR9 (0.82) | TLR9ALDH1A1MAPTTDP1CYP3A4 | |
| SCHEMBL10825882 | 0.77 | TLR9 (0.82) | TLR9ALDH1A1MAPTTDP1CYP3A4 | |
| SCHEMBL10600352 | 0.75 | TLR9 (0.78) | TLR9ALDH1A1MAPTTDP1CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |